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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL226533
Molecular formula	C29H34N8O3
IUPAC name	2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
Molecular weight	542.644
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.5
Synonyms	BDBM50411348 SCHEMBL3918516
Inchi Key	HPXBSMGSDZHMIW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H34N8O3/c1-29(2,3)24(38)17-36-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)33-37(28(36)40)18-25(39)30-21-13-9-12-20(16-21)27-31-34-35-32-27/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,30,39)(H,31,32,34,35)
PubChem CID	16732019
ChEMBL	CHEMBL226533
IUPHAR	N/A
BindingDB	50411348
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
121096	Cholecystokinin receptor type A	P32238	CCKAR	Homo sapiens (Human)	428
121094	Gastrin/cholecystokinin type B receptor	P30552	CCKBR	Canis lupus familiaris (Dog)	453
121095	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447
121097	Gastrin/cholecystokinin type B receptor	P30553	Cckbr	Rattus norvegicus (Rat)	452

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